Mol:FL3FACGS0055
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 0.2047 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2047 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 -1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4599 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9196 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3793 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3793 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9196 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4599 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 -0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9736 0.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9196 1.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 -0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8305 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1141 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 -0.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3931 -0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 -0.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3768 -0.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7438 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7438 0.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4162 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4162 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 25 18 1 0 0 0 0 S SKP 8 ID FL3FACGS0055 KNApSAcK_ID C00004316 NAME Luteolin 7-(6''-acetylglucoside) CAS_RN 60355-68-2 FORMULA C23H22O12 EXACTMASS 490.111126168 AVERAGEMASS 490.41358 SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)O)=CC2=O)OC(COC(C)=O)C1O M END
</pre>